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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-1960
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'N', 'Cl']
  • Chemical System: Ca-Cl-N
  • Density: 2.845905330589379
  • Atomic Density: 0.05289002025639256
  • Unit Cell Volume: 75.62863429829258
  • Molar Volume: 11.386157030772043
  • Full Formula: Ca2 N1 Cl1
  • Reduced Formula: Ca2NCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m